(2S,3S)-2-(dimethylamino)-N-[(3S,4R,7R)-3-isopropyl-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide
AlkaPlorer ID: AK319769
Synonym: None
IUPAC Name: (2S,3R)-2-(dimethylamino)-3-methyl-N-[(3S,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide
Structure
SMILES: CC[C@@H](C)[C@@H](C(O)=N[C@@H]1C(O)=N[C@@H](CC(C)C)C(O)=N/C=C\C2=CC=C(C=C2)O[C@H]1C(C)C)N(C)C
InChI: InChI=1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14-/t19-,22+,23+,24+,25+/m1/s1
InChIKey: ULQXKOIGVXLOOC-VKKXVIDFSA-N
Reference
Ceanothus alkaloids. II. Peptide alkaloids from Ceanothus americanus
PubChem CID: 6450252
CAS: 25350-22-5
LOTUS: LTS0040573
SuperNatural Ⅲ: SN0373720-03
NPASS: NPC294138
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Frangula alnus | Frangula | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ziziphus mauritiana | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Hovenia dulcis | Hovenia | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 500.6840000000002
TPSA？: 110.24
MolLogP？: 5.703400000000006
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|